3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide

C13H13ClN2O3S2 — CID 103405078

IUPAC3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C13H13ClN2O3S2/c1-7-3-4-9(21(15,18)19)5-10(7)16-13(17)12-11(14)8(2)6-20-12/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySEQNJABQHPCHIJ-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.92
Rot. Bonds3

About 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide

3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 103405078) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID103405078
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C13H13ClN2O3S2/c1-7-3-4-9(21(15,18)19)5-10(7)16-13(17)12-11(14)8(2)6-20-12/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySEQNJABQHPCHIJ-UHFFFAOYSA-N
XLogP2.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(2-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405087
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
6-chloro-N-(2-methyl-5-sulfamoylphenyl)pyridazine-3-carboxamide
CID 61052794
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 114258897
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
CID 4547924
5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895
3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 107808410

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide (CID 103405078) is 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1scc(C)c1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is SEQNJABQHPCHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-7-3-4-9(21(15,18)19)5-10(7)16-13(17)12-11(14)8(2)6-20-12/h3-6H,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 103405078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).